Perfluoropropionic Acid (CF<sub>3</sub>CF<sub>2</sub>C(O)OH): Three Conformations and Dimer Formation
Perfluoropropionic acid (CF<sub>3</sub>CF<sub>2</sub>C(O)OH) has been investigated with a focus on its complex structural properties. As a formal derivative of propanoic acid, the incorporation of fluorine atoms imparts unique structural features, including three distinct mon...
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MDPI AG
2025-04-01
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| Series: | Molecules |
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| author | Carlos O. Della Védova Rosana M. Romano Hans-Georg Stammler Norbert W. Mitzel |
| author_facet | Carlos O. Della Védova Rosana M. Romano Hans-Georg Stammler Norbert W. Mitzel |
| author_sort | Carlos O. Della Védova |
| collection | DOAJ |
| description | Perfluoropropionic acid (CF<sub>3</sub>CF<sub>2</sub>C(O)OH) has been investigated with a focus on its complex structural properties. As a formal derivative of propanoic acid, the incorporation of fluorine atoms imparts unique structural features, including three distinct monomeric conformations and a dimeric structure. This study presents experimental findings, supported by computational modeling, to explore these characteristics. The analysis includes an FTIR study of the isolated species in an Ar-cryogenic matrix and the low-temperature determination of its crystalline structure using single-crystal X-ray diffraction. |
| format | Article |
| id | doaj-art-14fa6b5c141b4e9f94b869e1fc59d181 |
| institution | OA Journals |
| issn | 1420-3049 |
| language | English |
| publishDate | 2025-04-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj-art-14fa6b5c141b4e9f94b869e1fc59d1812025-08-20T02:24:49ZengMDPI AGMolecules1420-30492025-04-01309188710.3390/molecules30091887Perfluoropropionic Acid (CF<sub>3</sub>CF<sub>2</sub>C(O)OH): Three Conformations and Dimer FormationCarlos O. Della Védova0Rosana M. Romano1Hans-Georg Stammler2Norbert W. Mitzel3Centro de Química Inorgánica “Dr. Pedro J. Aymonino”, CEQUINOR (Universidad Nacional de La Plata, UNLP, Centro Científico y Tecnológico, Consejo Nacional de Investigaciones Científicas y Técnicas, CCT-CONICET La Plata, Associated with Comisión de Investigaciones Científicas de la Provincia de Buenos Aires, CIC-PBA), Departamento de Química, Facultad de Ciencias Exactas, Universidad Nacional de La Plata, Boulevard 120 N° 1465, La Plata CP 1900, ArgentinaCentro de Química Inorgánica “Dr. Pedro J. Aymonino”, CEQUINOR (Universidad Nacional de La Plata, UNLP, Centro Científico y Tecnológico, Consejo Nacional de Investigaciones Científicas y Técnicas, CCT-CONICET La Plata, Associated with Comisión de Investigaciones Científicas de la Provincia de Buenos Aires, CIC-PBA), Departamento de Química, Facultad de Ciencias Exactas, Universidad Nacional de La Plata, Boulevard 120 N° 1465, La Plata CP 1900, ArgentinaLehrstuhl für Anorganische Chemie und Strukturchemie, Center for Molecular Materials CM2, Bielefeld University, Universitätsstraße 25, 33615 Bielefeld, GermanyLehrstuhl für Anorganische Chemie und Strukturchemie, Center for Molecular Materials CM2, Bielefeld University, Universitätsstraße 25, 33615 Bielefeld, GermanyPerfluoropropionic acid (CF<sub>3</sub>CF<sub>2</sub>C(O)OH) has been investigated with a focus on its complex structural properties. As a formal derivative of propanoic acid, the incorporation of fluorine atoms imparts unique structural features, including three distinct monomeric conformations and a dimeric structure. This study presents experimental findings, supported by computational modeling, to explore these characteristics. The analysis includes an FTIR study of the isolated species in an Ar-cryogenic matrix and the low-temperature determination of its crystalline structure using single-crystal X-ray diffraction.https://www.mdpi.com/1420-3049/30/9/1887perfluoropropionic acidlow-temperature crystal structurecryogenic Ar matrix studyconformersmonomersdimer |
| spellingShingle | Carlos O. Della Védova Rosana M. Romano Hans-Georg Stammler Norbert W. Mitzel Perfluoropropionic Acid (CF<sub>3</sub>CF<sub>2</sub>C(O)OH): Three Conformations and Dimer Formation Molecules perfluoropropionic acid low-temperature crystal structure cryogenic Ar matrix study conformers monomers dimer |
| title | Perfluoropropionic Acid (CF<sub>3</sub>CF<sub>2</sub>C(O)OH): Three Conformations and Dimer Formation |
| title_full | Perfluoropropionic Acid (CF<sub>3</sub>CF<sub>2</sub>C(O)OH): Three Conformations and Dimer Formation |
| title_fullStr | Perfluoropropionic Acid (CF<sub>3</sub>CF<sub>2</sub>C(O)OH): Three Conformations and Dimer Formation |
| title_full_unstemmed | Perfluoropropionic Acid (CF<sub>3</sub>CF<sub>2</sub>C(O)OH): Three Conformations and Dimer Formation |
| title_short | Perfluoropropionic Acid (CF<sub>3</sub>CF<sub>2</sub>C(O)OH): Three Conformations and Dimer Formation |
| title_sort | perfluoropropionic acid cf sub 3 sub cf sub 2 sub c o oh three conformations and dimer formation |
| topic | perfluoropropionic acid low-temperature crystal structure cryogenic Ar matrix study conformers monomers dimer |
| url | https://www.mdpi.com/1420-3049/30/9/1887 |
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